SCHEMBL12241471

SCHEMBL12241471

Cc1ccccc1C(=O)Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ TP53 P04637 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ STIM1 Q13586 2/20 0.42
▸ ORAI1 Q96D31 2/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17805357 0.91 NPC1 (0.51) NPC1RAB9ATP53MAPK1HTT
SCHEMBL12241474 0.88 NPC1 (0.53) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL12241467 0.88 RAB9A (0.49) NPC1RAB9ATP53HTTALOX15
SCHEMBL12241480 0.86 ATR (0.45) NPC1RAB9ATP53MAPK1HTT
SCHEMBL12155518 0.85 STIM1 (0.56) NPC1RAB9ATP53MAPK1HTT
SCHEMBL12155449 0.82 STIM1 (0.57) NPC1RAB9ATP53MAPK1HTT
SCHEMBL12155516 0.82 ATR (0.44) ALOX15STIM1ORAI1ORAI2KCNH2
SCHEMBL12155602 0.82 IL2 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2STIM1
SCHEMBL16572575 0.82 ATR (0.43) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL17244769 0.77 STIM1 (0.40) HTTALOX15STIM1ORAI1ORAI2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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